Structure and magnetism in carbon nanotubes including magnetic wire |
| |
Authors: | H Shiroishi T Oda H Sakashita N Fujima |
| |
Institution: | (1) Graduate School of Natural Science and Technology, Kanazawa University, 920-1192, Kanazawa, Japan;(2) Faculty of Engineering, Shizuoka University, 432-8561, Hamamatsu, Japan |
| |
Abstract: | We have studied the electronic structure of the carbon nanotubes which
include Fe atomic wire with using the density functional theory.
As the stable geometries, we obtained the straight and zigzag wires,
which have ferromagnetic and antiferromagnetic alignments, respectively.
The antiferromagnets consists of the two ferromagnetic dimers which
couple in antiparallel alignment.
We presents the band dispersions and the density of states for the
magnetic nanotubes.
The electronic structure at the Fermi level consists of the
Fe 3d and C 2pπ states, which shows a strong hybridization
between them. |
| |
Keywords: | 73 22 -f Electronic structure of nanoscale materials: clusters nanoparticles nanotubes and nanocrystals 75 75 +a Magnetic properties of nanostructures 71 15 Pd Molecular dynamics calculations (Car-Parrinello) and other numerical simulations |
本文献已被 SpringerLink 等数据库收录! |
|